N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide

C30H37N3O2 — CID 6416529

IUPACN,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide
SMILESCc1ccc(C)c(-c2nnc(OCC(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H37N3O2/c1-21-17-18-22(2)27(19-21)29-25-15-9-10-16-26(25)30(32-31-29)35-20-28(34)33(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-19,23-24H,3-8,11-14,20H2,1-2H3
InChIKeyCKBIUIJZJQHQJW-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.79
Rot. Bonds6

About N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide

N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide (PubChem CID 6416529) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide
PubChem CID6416529
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide
SMILESCc1ccc(C)c(-c2nnc(OCC(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C30H37N3O2/c1-21-17-18-22(2)27(19-21)29-25-15-9-10-16-26(25)30(32-31-29)35-20-28(34)33(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-19,23-24H,3-8,11-14,20H2,1-2H3
InChIKeyCKBIUIJZJQHQJW-UHFFFAOYSA-N
XLogP6.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6600182
2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2997645
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
CID 51142073
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
N-cyclopentyl-N-cyclopropyl-2-naphthalen-1-yloxyacetamide
CID 112818381
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
2-(2-chloro-5-methylphenoxy)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46824899
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55315017
3-[4-(2-hydroxy-4-methylphenyl)phthalazin-1-yl]oxypiperidine-1-carboxylic acid
CID 175387948
2-[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41088088

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide?
The IUPAC name of N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide (CID 6416529) is N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide is Cc1ccc(C)c(-c2nnc(OCC(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc23)c1.
What is the InChIKey of N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide?
The InChIKey is CKBIUIJZJQHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-21-17-18-22(2)27(19-21)29-25-15-9-10-16-26(25)30(32-31-29)35-20-28(34)33(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-19,23-24H,3-8,11-14,20H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide?
N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide has a molecular weight of 471.65 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[4-(2,5-dimethylphenyl)phthalazin-1-yl]oxyacetamide is sourced from PubChem (CID 6416529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).